#------------------------------------------------------------------------------
#$Date: 2021-12-13 14:39:05 +0200 (Mon, 13 Dec 2021) $
#$Revision: 271365 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/57/1565709.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1565709
loop_
_publ_author_name
'Duan, Yao-Yao'
'Wu, Dong-Fang'
'Chen, Huan-Huan'
'Wang, Yun-Juan'
'Li, Ling'
'Gao, Hong-Ling'
'Cui, Jian-Zhong'
_publ_section_title
;
 New dinuclear compounds of dysprosium and erbium constructed by an
 O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared
 luminescent and magnetism
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119203
_journal_paper_doi               10.1016/j.ica.2019.119203
_journal_volume                  499
_journal_year                    2020
_chemical_formula_sum            'C77 H60.5 Cl Dy2 O14.5'
_chemical_formula_weight         1578.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/8
_cell_angle_alpha                110.17(3)
_cell_angle_beta                 112.67(3)
_cell_angle_gamma                90.03(3)
_cell_formula_units_Z            2
_cell_length_a                   13.583(3)
_cell_length_b                   17.041(3)
_cell_length_c                   17.534(4)
_cell_measurement_reflns_used    9423
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8864
_cell_measurement_theta_min      1.6469
_cell_volume                     3473.4(18)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33173
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         1.644
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.238
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_description       triclinic
_exptl_crystal_F_000             1575
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.438
_refine_diff_density_min         -2.245
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     886
_refine_ls_number_reflns         12235
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0764P)²+13.6976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1433
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10771
_reflns_number_total             12235
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-499-119203.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        3473.5(15)
_cod_original_formula_sum        'C77 H60.50 Cl Dy2 O14.50'
_cod_database_code               1565709
_shelx_shelxl_version_number     2014/8
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.663
_shelx_estimated_absorpt_t_max   0.775
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.54319(2) 0.24812(2) 0.39988(2) 0.02637(10) Uani 1 1 d . . . . .
Dy2 Dy 0.64511(2) 0.20803(2) 0.21499(2) 0.02893(11) Uani 1 1 d . . . . .
O1 O 0.7661(5) 0.3528(4) 0.2939(4) 0.0668(19) Uani 1 1 d . . . . .
O2 O 0.6053(4) 0.3109(3) 0.3255(3) 0.0350(11) Uani 1 1 d . . . . .
O3 O 0.4537(5) 0.3716(3) 0.3949(4) 0.0649(19) Uani 1 1 d . . . . .
O4 O 0.4950(4) 0.0882(3) 0.3659(3) 0.0309(10) Uani 1 1 d . . . . .
O5 O 0.5308(3) 0.1497(2) 0.2603(3) 0.0247(9) Uani 1 1 d . . . . .
O6 O 0.5002(4) 0.1164(3) 0.0812(3) 0.0327(10) Uani 1 1 d . . . . .
O7 O 0.6819(3) 0.1981(3) 0.4839(3) 0.0301(10) Uani 1 1 d . . . . .
O8 O 0.6672(4) 0.3649(3) 0.5132(3) 0.0345(11) Uani 1 1 d . . . . .
O9 O 0.3559(3) 0.2063(3) 0.3282(3) 0.0302(10) Uani 1 1 d . . . . .
O10 O 0.4880(4) 0.2591(3) 0.5084(3) 0.0341(10) Uani 1 1 d . . . . .
O11 O 0.5476(4) 0.2966(3) 0.1496(3) 0.0376(11) Uani 1 1 d . . . . .
O12 O 0.7153(4) 0.2193(3) 0.1182(3) 0.0362(11) Uani 1 1 d . . . . .
O13 O 0.6913(4) 0.0714(3) 0.1849(3) 0.0345(10) Uani 1 1 d . . . . .
O14 O 0.7922(4) 0.2099(3) 0.3372(3) 0.0389(11) Uani 1 1 d . . . . .
C1 C 0.4745(8) 0.4356(7) 0.3923(6) 0.067(3) Uani 1 1 d . . . . .
H1 H 0.4320 0.4789 0.4035 0.081 Uiso 1 1 calc R U . . .
C2 C 0.5621(7) 0.4510(6) 0.3728(5) 0.052(2) Uani 1 1 d . . . . .
C3 C 0.5894(10) 0.5406(6) 0.3878(6) 0.072(3) Uani 1 1 d . . . . .
H3 H 0.5476 0.5814 0.4068 0.086 Uiso 1 1 calc R U . . .
C4 C 0.6747(12) 0.5639(6) 0.3739(8) 0.084(4) Uani 1 1 d . . . . .
H4 H 0.6924 0.6215 0.3837 0.100 Uiso 1 1 calc R U . . .
C5 C 0.7339(9) 0.5078(6) 0.3470(7) 0.071(3) Uani 1 1 d . . . . .
H5 H 0.7939 0.5262 0.3389 0.086 Uiso 1 1 calc R U . . .
C6 C 0.7101(6) 0.4248(5) 0.3310(5) 0.0407(17) Uani 1 1 d . . . . .
C7 C 0.6252(5) 0.3923(4) 0.3433(4) 0.0302(14) Uani 1 1 d . . . . .
C8 C 0.8652(10) 0.3764(8) 0.3042(8) 0.084(3) Uani 1 1 d . . . . .
H8A H 0.8612 0.4074 0.2655 0.126 Uiso 1 1 calc R U . . .
H8B H 0.8993 0.3262 0.2882 0.126 Uiso 1 1 calc R U . . .
H8C H 0.9081 0.4130 0.3665 0.126 Uiso 1 1 calc R U . . .
C9 C 0.4352(5) 0.0563(4) 0.0654(4) 0.0303(14) Uani 1 1 d . . . . .
H9 H 0.3918 0.0242 0.0043 0.036 Uiso 1 1 calc R U . . .
C10 C 0.4175(5) 0.0290(4) 0.1287(4) 0.0302(14) Uani 1 1 d . . . . .
C11 C 0.3449(5) -0.0464(4) 0.0937(4) 0.0321(14) Uani 1 1 d . . . . .
H11 H 0.3117 -0.0764 0.0311 0.039 Uiso 1 1 calc R U . . .
C12 C 0.3214(6) -0.0774(4) 0.1482(5) 0.0370(16) Uani 1 1 d . . . . .
H12 H 0.2718 -0.1280 0.1237 0.044 Uiso 1 1 calc R U . . .
C13 C 0.3712(6) -0.0336(4) 0.2404(4) 0.0330(15) Uani 1 1 d . . . . .
H13 H 0.3556 -0.0549 0.2786 0.040 Uiso 1 1 calc R U . . .
C14 C 0.4430(5) 0.0405(4) 0.2768(4) 0.0274(13) Uani 1 1 d . . . . .
C15 C 0.4668(5) 0.0751(4) 0.2215(4) 0.0249(13) Uani 1 1 d . . . . .
C16 C 0.4940(6) 0.0489(4) 0.4269(4) 0.0343(15) Uani 1 1 d . . . . .
H16A H 0.4197 0.0373 0.4199 0.051 Uiso 1 1 calc R U . . .
H16B H 0.5383 0.0872 0.4883 0.051 Uiso 1 1 calc R U . . .
H16C H 0.5234 -0.0042 0.4140 0.051 Uiso 1 1 calc R U . . .
C17 C 0.7849(6) 0.0797(4) 0.5451(5) 0.0378(16) Uani 1 1 d . . . . .
H17 H 0.7548 0.0676 0.4828 0.045 Uiso 1 1 calc R U . . .
C18 C 0.8230(6) 0.0155(5) 0.5762(6) 0.0477(19) Uani 1 1 d . . . . .
H18 H 0.8186 -0.0398 0.5356 0.057 Uiso 1 1 calc R U . . .
C19 C 0.8673(6) 0.0338(5) 0.6672(6) 0.051(2) Uani 1 1 d . . . . .
H19 H 0.8936 -0.0091 0.6894 0.061 Uiso 1 1 calc R U . . .
C20 C 0.8731(7) 0.1139(5) 0.7254(6) 0.054(2) Uani 1 1 d . . . . .
H20 H 0.9037 0.1260 0.7877 0.065 Uiso 1 1 calc R U . . .
C21 C 0.8351(6) 0.1772(5) 0.6947(5) 0.0401(17) Uani 1 1 d . . . . .
H21 H 0.8395 0.2322 0.7359 0.048 Uiso 1 1 calc R U . . .
C22 C 0.7902(5) 0.1607(4) 0.6034(4) 0.0308(14) Uani 1 1 d . . . . .
C23 C 0.7466(5) 0.2263(4) 0.5661(4) 0.0288(14) Uani 1 1 d . . . . .
C24 C 0.7796(5) 0.3122(4) 0.6190(4) 0.0331(15) Uani 1 1 d . . . . .
H24 H 0.8280 0.3277 0.6798 0.040 Uiso 1 1 calc R U . . .
C25 C 0.7455(5) 0.3765(4) 0.5874(4) 0.0288(14) Uani 1 1 d . . . . .
C26 C 0.8044(6) 0.4651(4) 0.6391(5) 0.0394(17) Uani 1 1 d . . . . .
C27 C 0.8678(9) 0.4938(5) 0.7292(6) 0.068(3) Uani 1 1 d . . . . .
H27 H 0.8744 0.4577 0.7613 0.082 Uiso 1 1 calc R U . . .
C28 C 0.9231(10) 0.5778(6) 0.7733(7) 0.097(5) Uani 1 1 d . . . . .
H28 H 0.9687 0.5974 0.8351 0.116 Uiso 1 1 calc R U . . .
C29 C 0.9124(10) 0.6303(6) 0.7295(7) 0.099(5) Uani 1 1 d . . . . .
H29 H 0.9514 0.6861 0.7600 0.119 Uiso 1 1 calc R U . . .
C30 C 0.8450(11) 0.6032(6) 0.6407(7) 0.098(5) Uani 1 1 d . . . . .
H30 H 0.8339 0.6407 0.6097 0.118 Uiso 1 1 calc R U . . .
C31 C 0.7927(8) 0.5190(5) 0.5967(6) 0.070(3) Uani 1 1 d . . . . .
H31 H 0.7476 0.4995 0.5348 0.084 Uiso 1 1 calc R U . . .
C32 C 0.1657(6) 0.0934(4) 0.2010(4) 0.0367(16) Uani 1 1 d . . . . .
H32 H 0.2284 0.0834 0.1896 0.044 Uiso 1 1 calc R U . . .
C33 C 0.0634(6) 0.0498(5) 0.1356(5) 0.0486(19) Uani 1 1 d . . . . .
H33 H 0.0572 0.0088 0.0804 0.058 Uiso 1 1 calc R U . . .
C34 C -0.0275(6) 0.0663(5) 0.1512(5) 0.048(2) Uani 1 1 d . . . . .
H34 H -0.0962 0.0368 0.1066 0.058 Uiso 1 1 calc R U . . .
C35 C -0.0200(6) 0.1244(5) 0.2299(5) 0.0426(18) Uani 1 1 d . . . . .
H35 H -0.0837 0.1364 0.2393 0.051 Uiso 1 1 calc R U . . .
C36 C 0.0817(5) 0.1670(4) 0.2977(5) 0.0354(15) Uani 1 1 d . . . . .
H36 H 0.0872 0.2063 0.3534 0.043 Uiso 1 1 calc R U . . .
C37 C 0.1741(5) 0.1508(4) 0.2821(4) 0.0282(13) Uani 1 1 d . . . . .
C38 C 0.2849(5) 0.1900(4) 0.3540(4) 0.0295(14) Uani 1 1 d . . . . .
C39 C 0.3043(5) 0.2004(4) 0.4416(4) 0.0330(15) Uani 1 1 d . . . . .
H39 H 0.2449 0.1872 0.4533 0.040 Uiso 1 1 calc R U . . .
C40 C 0.4066(5) 0.2293(4) 0.5135(4) 0.0291(14) Uani 1 1 d . . . . .
C41 C 0.4257(5) 0.2209(4) 0.6000(4) 0.0322(14) Uani 1 1 d . . . . .
C42 C 0.3455(6) 0.2006(5) 0.6228(5) 0.0410(17) Uani 1 1 d . . . . .
H42 H 0.2719 0.1927 0.5829 0.049 Uiso 1 1 calc R U . . .
C43 C 0.3721(7) 0.1916(6) 0.7041(6) 0.053(2) Uani 1 1 d . . . . .
H43 H 0.3160 0.1804 0.7203 0.064 Uiso 1 1 calc R U . . .
C44 C 0.4775(7) 0.1988(5) 0.7613(5) 0.050(2) Uani 1 1 d . . . . .
H44 H 0.4944 0.1892 0.8149 0.059 Uiso 1 1 calc R U . . .
C45 C 0.5582(7) 0.2199(5) 0.7398(5) 0.050(2) Uani 1 1 d . . . . .
H45 H 0.6315 0.2273 0.7800 0.060 Uiso 1 1 calc R U . . .
C46 C 0.5338(6) 0.2307(5) 0.6598(5) 0.0403(17) Uani 1 1 d . . . . .
H46 H 0.5904 0.2447 0.6455 0.048 Uiso 1 1 calc R U . . .
C47 C 0.4286(10) 0.4237(8) 0.1487(8) 0.083(3) Uani 1 1 d . . . . .
H47 H 0.4061 0.3762 0.1579 0.100 Uiso 1 1 calc R U . . .
C48 C 0.3753(14) 0.4932(9) 0.1600(10) 0.116(6) Uani 1 1 d . . . . .
H48 H 0.3174 0.4932 0.1778 0.140 Uiso 1 1 calc R U . . .
C49 C 0.4051(14) 0.5616(9) 0.1460(8) 0.111(6) Uani 1 1 d . . . . .
H49 H 0.3691 0.6096 0.1549 0.133 Uiso 1 1 calc R U . . .
C50 C 0.4857(15) 0.5605(9) 0.1194(10) 0.122(6) Uani 1 1 d . . . . .
H50 H 0.5046 0.6065 0.1064 0.146 Uiso 1 1 calc R U . . .
C51 C 0.5419(13) 0.4911(7) 0.1108(9) 0.104(5) Uani 1 1 d . . . . .
H51 H 0.6014 0.4922 0.0953 0.125 Uiso 1 1 calc R U . . .
C52 C 0.5128(8) 0.4222(5) 0.1244(6) 0.057(2) Uani 1 1 d . . . . .
C53 C 0.5726(6) 0.3490(4) 0.1206(5) 0.0413(17) Uani 1 1 d . . . . .
C54 C 0.6521(6) 0.3382(5) 0.0863(5) 0.0431(18) Uani 1 1 d . . . . .
H54 H 0.6631 0.3781 0.0625 0.052 Uiso 1 1 calc R U . . .
C55 C 0.7158(6) 0.2745(4) 0.0840(4) 0.0355(15) Uani 1 1 d . . . . .
C56 C 0.7943(6) 0.2688(4) 0.0413(4) 0.0352(16) Uani 1 1 d . . . . .
C57 C 0.7889(7) 0.3101(5) -0.0160(5) 0.049(2) Uani 1 1 d . . . . .
H57 H 0.7337 0.3437 -0.0296 0.058 Uiso 1 1 calc R U . . .
C58 C 0.8625(9) 0.3026(6) -0.0527(6) 0.062(3) Uani 1 1 d . . . . .
H58 H 0.8564 0.3297 -0.0931 0.074 Uiso 1 1 calc R U . . .
C59 C 0.9446(8) 0.2568(6) -0.0322(6) 0.060(2) Uani 1 1 d . . . . .
H59 H 0.9968 0.2542 -0.0564 0.071 Uiso 1 1 calc R U . . .
C60 C 0.9517(7) 0.2140(6) 0.0242(5) 0.053(2) Uani 1 1 d . . . . .
H60 H 1.0075 0.1809 0.0376 0.064 Uiso 1 1 calc R U . . .
C61 C 0.8761(6) 0.2204(5) 0.0603(5) 0.0407(17) Uani 1 1 d . . . . .
H61 H 0.8803 0.1913 0.0987 0.049 Uiso 1 1 calc R U . . .
C62 C 0.6394(6) -0.1081(4) 0.1212(4) 0.0373(16) Uani 1 1 d . . . . .
H62 H 0.5787 -0.0801 0.1047 0.045 Uiso 1 1 calc R U . . .
C63 C 0.6289(7) -0.1947(5) 0.0784(5) 0.053(2) Uani 1 1 d . . . . .
H63 H 0.5613 -0.2257 0.0330 0.064 Uiso 1 1 calc R U . . .
C64 C 0.7162(8) -0.2358(5) 0.1014(6) 0.057(2) Uani 1 1 d . . . . .
H64 H 0.7091 -0.2952 0.0720 0.069 Uiso 1 1 calc R U . . .
C65 C 0.8143(8) -0.1903(5) 0.1676(6) 0.057(2) Uani 1 1 d . . . . .
H65 H 0.8742 -0.2191 0.1839 0.068 Uiso 1 1 calc R U . . .
C66 C 0.8268(6) -0.1040(5) 0.2103(5) 0.0465(18) Uani 1 1 d . . . . .
H66 H 0.8952 -0.0733 0.2547 0.056 Uiso 1 1 calc R U . . .
C67 C 0.7372(6) -0.0616(4) 0.1877(4) 0.0335(15) Uani 1 1 d . . . . .
C68 C 0.7464(5) 0.0327(4) 0.2339(4) 0.0304(14) Uani 1 1 d . . . . .
C69 C 0.8155(6) 0.0709(5) 0.3241(4) 0.0371(16) Uani 1 1 d . . . . .
H69 H 0.8487 0.0356 0.3553 0.044 Uiso 1 1 calc R U . . .
C70 C 0.8382(5) 0.1578(5) 0.3704(4) 0.0344(15) Uani 1 1 d . . . . .
C71 C 0.9268(6) 0.1953(5) 0.4628(5) 0.0424(18) Uani 1 1 d . . . . .
C72 C 0.9442(6) 0.2828(6) 0.5069(5) 0.054(2) Uani 1 1 d . . . . .
H72 H 0.9018 0.3169 0.4781 0.065 Uiso 1 1 calc R U . . .
C73 C 1.0233(7) 0.3201(7) 0.5931(6) 0.070(3) Uani 1 1 d . . . . .
H73 H 1.0347 0.3798 0.6234 0.085 Uiso 1 1 calc R U . . .
C74 C 1.0857(7) 0.2706(8) 0.6350(6) 0.075(3) Uani 1 1 d . . . . .
H74 H 1.1410 0.2962 0.6934 0.090 Uiso 1 1 calc R U . . .
C75 C 1.0676(7) 0.1843(7) 0.5919(6) 0.063(3) Uani 1 1 d . . . . .
H75 H 1.1088 0.1503 0.6215 0.075 Uiso 1 1 calc R U . . .
C76 C 0.9902(6) 0.1466(6) 0.5060(5) 0.050(2) Uani 1 1 d . . . . .
H76 H 0.9801 0.0870 0.4761 0.060 Uiso 1 1 calc R U . . .
Cl1 Cl 0.2045(4) 0.1302(3) 0.0203(3) 0.0576(11) Uani 0.5 1 d . . P . .
Cl2 Cl 0.2308(4) 0.2948(4) 0.1546(4) 0.0828(17) Uani 0.5 1 d . . P . .
C77 C 0.2898(13) 0.2145(9) 0.1154(12) 0.048(4) Uani 0.5 1 d . . P . .
H77A H 0.3265 0.1926 0.1631 0.057 Uiso 0.5 1 calc R U P . .
H77B H 0.3462 0.2364 0.1020 0.057 Uiso 0.5 1 calc R U P . .
O15 O 0.001(2) 0.4341(19) 0.8968(18) 0.088(7) Uani 0.25 1 d D U P . .
H15 H -0.0430 0.3951 0.8908 0.132 Uiso 0.25 1 d R U P . .
C78 C 0.104(2) 0.435(3) 0.956(2) 0.072(8) Uani 0.25 1 d D U P . .
H78A H 0.1145 0.3813 0.9671 0.087 Uiso 0.25 1 calc R U P . .
H78B H 0.1302 0.4842 1.0133 0.087 Uiso 0.25 1 calc R U P . .
C79 C 0.148(3) 0.443(2) 0.891(2) 0.064(8) Uani 0.25 1 d D U P . .
H79A H 0.1243 0.3899 0.8381 0.096 Uiso 0.25 1 calc R U P . .
H79B H 0.2272 0.4538 0.9193 0.096 Uiso 0.25 1 calc R U P . .
H79C H 0.1210 0.4895 0.8724 0.096 Uiso 0.25 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O10 Dy1 O7 81.72(17) . .
O10 Dy1 O2 150.18(16) . .
O7 Dy1 O2 108.85(17) . .
O10 Dy1 O8 81.29(17) . .
O7 Dy1 O8 72.72(16) . .
O2 Dy1 O8 75.84(16) . .
O10 Dy1 O9 74.20(16) . .
O7 Dy1 O9 133.84(15) . .
O2 Dy1 O9 111.61(16) . .
O8 Dy1 O9 138.45(17) . .
O10 Dy1 O5 140.95(15) . .
O7 Dy1 O5 95.11(15) . .
O2 Dy1 O5 67.50(14) . .
O8 Dy1 O5 135.10(16) . .
O9 Dy1 O5 80.85(15) . .
O10 Dy1 O3 83.4(2) . .
O7 Dy1 O3 145.14(17) . .
O2 Dy1 O3 72.1(2) . .
O8 Dy1 O3 73.97(18) . .
O9 Dy1 O3 70.36(18) . .
O5 Dy1 O3 115.88(19) . .
O10 Dy1 O4 80.37(16) . .
O7 Dy1 O4 67.90(15) . .
O2 Dy1 O4 129.41(15) . .
O8 Dy1 O4 138.40(15) . .
O9 Dy1 O4 69.62(15) . .
O5 Dy1 O4 62.80(13) . .
O3 Dy1 O4 139.53(19) . .
O10 Dy1 Dy2 174.34(12) . .
O7 Dy1 Dy2 94.06(12) . .
O2 Dy1 Dy2 35.05(11) . .
O8 Dy1 Dy2 101.12(12) . .
O9 Dy1 Dy2 106.53(11) . .
O5 Dy1 Dy2 35.30(9) . .
O3 Dy1 Dy2 102.15(18) . .
O4 Dy1 Dy2 94.57(10) . .
O14 Dy2 O12 104.60(18) . .
O14 Dy2 O11 142.03(17) . .
O12 Dy2 O11 73.83(17) . .
O14 Dy2 O13 71.93(16) . .
O12 Dy2 O13 86.55(16) . .
O11 Dy2 O13 143.68(16) . .
O14 Dy2 O5 90.37(16) . .
O12 Dy2 O5 156.48(16) . .
O11 Dy2 O5 105.37(16) . .
O13 Dy2 O5 80.91(15) . .
O14 Dy2 O2 81.88(17) . .
O12 Dy2 O2 131.96(15) . .
O11 Dy2 O2 73.28(16) . .
O13 Dy2 O2 138.43(15) . .
O5 Dy2 O2 67.28(15) . .
O14 Dy2 O6 143.39(17) . .
O12 Dy2 O6 83.52(16) . .
O11 Dy2 O6 74.57(16) . .
O13 Dy2 O6 73.05(16) . .
O5 Dy2 O6 73.85(15) . .
O2 Dy2 O6 119.39(17) . .
O14 Dy2 O1 69.40(19) . .
O12 Dy2 O1 74.21(19) . .
O11 Dy2 O1 73.92(19) . .
O13 Dy2 O1 130.1(2) . .
O5 Dy2 O1 128.78(18) . .
O2 Dy2 O1 63.7(2) . .
O6 Dy2 O1 145.35(17) . .
O14 Dy2 Dy1 74.83(13) . .
O12 Dy2 Dy1 166.10(12) . .
O11 Dy2 Dy1 97.90(12) . .
O13 Dy2 Dy1 106.12(12) . .
O5 Dy2 Dy1 35.87(10) . .
O2 Dy2 Dy1 34.25(10) . .
O6 Dy2 Dy1 105.36(11) . .
O1 Dy2 Dy1 92.91(15) . .
C8 O1 C6 115.1(8) . .
C8 O1 Dy2 131.8(7) . .
C6 O1 Dy2 113.0(4) . .
C7 O2 Dy1 127.4(4) . .
C7 O2 Dy2 121.8(4) . .
Dy1 O2 Dy2 110.70(17) . .
C1 O3 Dy1 135.9(7) . .
C14 O4 C16 116.9(5) . .
C14 O4 Dy1 113.4(3) . .
C16 O4 Dy1 128.1(4) . .
C15 O5 Dy2 130.7(4) . .
C15 O5 Dy1 120.5(4) . .
Dy2 O5 Dy1 108.83(15) . .
C9 O6 Dy2 132.7(4) . .
C23 O7 Dy1 133.6(4) . .
C25 O8 Dy1 134.6(4) . .
C38 O9 Dy1 133.3(4) . .
C40 O10 Dy1 136.7(4) . .
C53 O11 Dy2 132.5(5) . .
C55 O12 Dy2 133.2(5) . .
C68 O13 Dy2 133.7(4) . .
C70 O14 Dy2 138.1(4) . .
O3 C1 C2 120.9(10) . .
O3 C1 H1 119.6 . .
C2 C1 H1 119.6 . .
C1 C2 C7 127.8(9) . .
C1 C2 C3 113.6(9) . .
C7 C2 C3 118.5(8) . .
C4 C3 C2 119.2(8) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C5 C4 C3 121.3(10) . .
C5 C4 H4 119.3 . .
C3 C4 H4 119.3 . .
C4 C5 C6 121.1(10) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C5 C6 C7 123.5(8) . .
C5 C6 O1 126.7(8) . .
C7 C6 O1 109.7(6) . .
O2 C7 C6 120.8(6) . .
O2 C7 C2 123.0(7) . .
C6 C7 C2 116.2(7) . .
O1 C8 H8A 109.5 . .
O1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O6 C9 C10 127.5(6) . .
O6 C9 H9 116.2 . .
C10 C9 H9 116.2 . .
C11 C10 C15 120.3(6) . .
C11 C10 C9 116.7(6) . .
C15 C10 C9 123.0(6) . .
C12 C11 C10 121.4(6) . .
C12 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
C11 C12 C13 119.2(6) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C14 C13 C12 120.8(6) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
O4 C14 C13 125.2(6) . .
O4 C14 C15 113.7(5) . .
C13 C14 C15 121.1(6) . .
O5 C15 C10 124.6(5) . .
O5 C15 C14 118.1(5) . .
C10 C15 C14 117.2(5) . .
O4 C16 H16A 109.5 . .
O4 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O4 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C22 C17 C18 121.3(7) . .
C22 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
C19 C18 C17 119.0(7) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C20 C19 C18 120.1(7) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 121.0(8) . .
C19 C20 H20 119.5 . .
C21 C20 H20 119.5 . .
C20 C21 C22 120.3(7) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C17 C22 C21 118.4(6) . .
C17 C22 C23 118.8(6) . .
C21 C22 C23 122.8(6) . .
O7 C23 C24 123.8(6) . .
O7 C23 C22 115.6(6) . .
C24 C23 C22 120.6(6) . .
C23 C24 C25 123.5(6) . .
C23 C24 H24 118.2 . .
C25 C24 H24 118.2 . .
O8 C25 C24 123.9(6) . .
O8 C25 C26 115.4(6) . .
C24 C25 C26 120.6(6) . .
C31 C26 C27 118.9(7) . .
C31 C26 C25 118.9(6) . .
C27 C26 C25 122.1(7) . .
C26 C27 C28 119.0(8) . .
C26 C27 H27 120.5 . .
C28 C27 H27 120.5 . .
C29 C28 C27 121.3(9) . .
C29 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
C28 C29 C30 119.9(9) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C29 C30 C31 118.6(9) . .
C29 C30 H30 120.7 . .
C31 C30 H30 120.7 . .
C26 C31 C30 122.2(8) . .
C26 C31 H31 118.9 . .
C30 C31 H31 118.9 . .
C37 C32 C33 119.3(7) . .
C37 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C34 C33 C32 120.3(7) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C35 C34 C33 120.6(7) . .
C35 C34 H34 119.7 . .
C33 C34 H34 119.7 . .
C34 C35 C36 120.3(7) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C37 C36 C35 119.3(7) . .
C37 C36 H36 120.3 . .
C35 C36 H36 120.3 . .
C32 C37 C36 120.1(6) . .
C32 C37 C38 118.3(6) . .
C36 C37 C38 121.4(6) . .
O9 C38 C39 125.4(6) . .
O9 C38 C37 116.1(6) . .
C39 C38 C37 118.4(6) . .
C38 C39 C40 123.9(6) . .
C38 C39 H39 118.1 . .
C40 C39 H39 118.1 . .
O10 C40 C39 123.4(6) . .
O10 C40 C41 116.0(6) . .
C39 C40 C41 120.5(6) . .
C42 C41 C46 118.4(6) . .
C42 C41 C40 124.6(6) . .
C46 C41 C40 116.9(6) . .
C41 C42 C43 120.1(7) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C44 C43 C42 121.4(8) . .
C44 C43 H43 119.3 . .
C42 C43 H43 119.3 . .
C43 C44 C45 118.9(7) . .
C43 C44 H44 120.5 . .
C45 C44 H44 120.5 . .
C44 C45 C46 120.7(7) . .
C44 C45 H45 119.7 . .
C46 C45 H45 119.7 . .
C45 C46 C41 120.3(7) . .
C45 C46 H46 119.8 . .
C41 C46 H46 119.8 . .
C52 C47 C48 121.1(13) . .
C52 C47 H47 119.5 . .
C48 C47 H47 119.5 . .
C49 C48 C47 120.6(15) . .
C49 C48 H48 119.7 . .
C47 C48 H48 119.7 . .
C50 C49 C48 119.4(12) . .
C50 C49 H49 120.3 . .
C48 C49 H49 120.3 . .
C49 C50 C51 119.9(14) . .
C49 C50 H50 120.1 . .
C51 C50 H50 120.1 . .
C52 C51 C50 121.3(15) . .
C52 C51 H51 119.3 . .
C50 C51 H51 119.3 . .
C51 C52 C47 117.7(10) . .
C51 C52 C53 123.6(10) . .
C47 C52 C53 118.5(8) . .
O11 C53 C54 122.1(7) . .
O11 C53 C52 116.3(8) . .
C54 C53 C52 121.7(7) . .
C55 C54 C53 125.9(7) . .
C55 C54 H54 117.1 . .
C53 C54 H54 117.1 . .
O12 C55 C54 124.5(7) . .
O12 C55 C56 115.6(6) . .
C54 C55 C56 119.9(6) . .
C61 C56 C57 118.5(7) . .
C61 C56 C55 118.5(6) . .
C57 C56 C55 123.0(7) . .
C58 C57 C56 120.4(9) . .
C58 C57 H57 119.8 . .
C56 C57 H57 119.8 . .
C59 C58 C57 121.2(8) . .
C59 C58 H58 119.4 . .
C57 C58 H58 119.4 . .
C58 C59 C60 119.9(8) . .
C58 C59 H59 120.1 . .
C60 C59 H59 120.1 . .
C61 C60 C59 119.0(9) . .
C61 C60 H60 120.5 . .
C59 C60 H60 120.5 . .
C60 C61 C56 121.0(7) . .
C60 C61 H61 119.5 . .
C56 C61 H61 119.5 . .
C63 C62 C67 120.9(7) . .
C63 C62 H62 119.5 . .
C67 C62 H62 119.5 . .
C64 C63 C62 120.1(8) . .
C64 C63 H63 120.0 . .
C62 C63 H63 120.0 . .
C63 C64 C65 119.7(8) . .
C63 C64 H64 120.1 . .
C65 C64 H64 120.1 . .
C66 C65 C64 121.2(8) . .
C66 C65 H65 119.4 . .
C64 C65 H65 119.4 . .
C65 C66 C67 119.4(8) . .
C65 C66 H66 120.3 . .
C67 C66 H66 120.3 . .
C62 C67 C66 118.7(7) . .
C62 C67 C68 119.9(6) . .
C66 C67 C68 121.3(6) . .
O13 C68 C69 125.3(6) . .
O13 C68 C67 115.8(6) . .
C69 C68 C67 118.8(6) . .
C70 C69 C68 123.4(6) . .
C70 C69 H69 118.3 . .
C68 C69 H69 118.3 . .
O14 C70 C69 123.4(6) . .
O14 C70 C71 116.0(7) . .
C69 C70 C71 120.4(7) . .
C76 C71 C72 119.1(7) . .
C76 C71 C70 123.0(7) . .
C72 C71 C70 117.9(7) . .
C73 C72 C71 120.0(9) . .
C73 C72 H72 120.0 . .
C71 C72 H72 120.0 . .
C74 C73 C72 120.1(10) . .
C74 C73 H73 120.0 . .
C72 C73 H73 120.0 . .
C75 C74 C73 119.9(8) . .
C75 C74 H74 120.1 . .
C73 C74 H74 120.1 . .
C74 C75 C76 120.6(9) . .
C74 C75 H75 119.7 . .
C76 C75 H75 119.7 . .
C75 C76 C71 120.4(9) . .
C75 C76 H76 119.8 . .
C71 C76 H76 119.8 . .
Cl2 C77 Cl1 115.8(10) . .
Cl2 C77 H77A 108.3 . .
Cl1 C77 H77A 108.3 . .
Cl2 C77 H77B 108.3 . .
Cl1 C77 H77B 108.3 . .
H77A C77 H77B 107.4 . .
C78 O15 H15 110.7 . .
O15 C78 C79 89(3) . .
O15 C78 H78A 113.8 . .
C79 C78 H78A 113.8 . .
O15 C78 H78B 113.8 . .
C79 C78 H78B 113.8 . .
H78A C78 H78B 111.0 . .
C78 C79 H79A 109.5 . .
C78 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C78 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O10 2.252(4) .
Dy1 O7 2.274(4) .
Dy1 O2 2.317(4) .
Dy1 O8 2.331(4) .
Dy1 O9 2.339(4) .
Dy1 O5 2.384(4) .
Dy1 O3 2.442(5) .
Dy1 O4 2.605(4) .
Dy1 Dy2 3.8506(10) .
Dy2 O14 2.289(5) .
Dy2 O12 2.302(5) .
Dy2 O11 2.318(5) .
Dy2 O13 2.346(5) .
Dy2 O5 2.351(4) .
Dy2 O2 2.364(5) .
Dy2 O6 2.393(4) .
Dy2 O1 2.567(6) .
O1 C8 1.329(12) .
O1 C6 1.530(10) .
O2 C7 1.315(7) .
O3 C1 1.147(12) .
O4 C14 1.369(7) .
O4 C16 1.448(7) .
O5 C15 1.334(7) .
O6 C9 1.234(8) .
O7 C23 1.276(8) .
O8 C25 1.273(8) .
O9 C38 1.279(8) .
O10 C40 1.263(8) .
O11 C53 1.270(9) .
O12 C55 1.279(8) .
O13 C68 1.276(8) .
O14 C70 1.263(8) .
C1 C2 1.406(14) .
C1 H1 0.9500 .
C2 C7 1.410(11) .
C2 C3 1.479(14) .
C3 C4 1.357(16) .
C3 H3 0.9500 .
C4 C5 1.328(16) .
C4 H4 0.9500 .
C5 C6 1.356(11) .
C5 H5 0.9500 .
C6 C7 1.399(10) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.437(9) .
C9 H9 0.9500 .
C10 C11 1.410(9) .
C10 C15 1.411(9) .
C11 C12 1.370(10) .
C11 H11 0.9500 .
C12 C13 1.397(10) .
C12 H12 0.9500 .
C13 C14 1.384(9) .
C13 H13 0.9500 .
C14 C15 1.425(9) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C22 1.388(10) .
C17 C18 1.398(10) .
C17 H17 0.9500 .
C18 C19 1.387(12) .
C18 H18 0.9500 .
C19 C20 1.374(12) .
C19 H19 0.9500 .
C20 C21 1.380(10) .
C20 H20 0.9500 .
C21 C22 1.397(10) .
C21 H21 0.9500 .
C22 C23 1.495(9) .
C23 C24 1.395(9) .
C24 C25 1.395(9) .
C24 H24 0.9500 .
C25 C26 1.495(9) .
C26 C31 1.341(11) .
C26 C27 1.377(11) .
C27 C28 1.413(12) .
C27 H27 0.9500 .
C28 C29 1.340(14) .
C28 H28 0.9500 .
C29 C30 1.371(13) .
C29 H29 0.9500 .
C30 C31 1.405(11) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C37 1.381(10) .
C32 C33 1.407(10) .
C32 H32 0.9500 .
C33 C34 1.374(12) .
C33 H33 0.9500 .
C34 C35 1.357(12) .
C34 H34 0.9500 .
C35 C36 1.410(10) .
C35 H35 0.9500 .
C36 C37 1.391(9) .
C36 H36 0.9500 .
C37 C38 1.503(9) .
C38 C39 1.401(9) .
C39 C40 1.408(9) .
C39 H39 0.9500 .
C40 C41 1.495(9) .
C41 C42 1.377(10) .
C41 C46 1.405(10) .
C42 C43 1.393(11) .
C42 H42 0.9500 .
C43 C44 1.370(12) .
C43 H43 0.9500 .
C44 C45 1.374(11) .
C44 H44 0.9500 .
C45 C46 1.388(10) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C52 1.363(15) .
C47 C48 1.384(14) .
C47 H47 0.9500 .
C48 C49 1.36(2) .
C48 H48 0.9500 .
C49 C50 1.34(2) .
C49 H49 0.9500 .
C50 C51 1.403(16) .
C50 H50 0.9500 .
C51 C52 1.362(15) .
C51 H51 0.9500 .
C52 C53 1.486(11) .
C53 C54 1.410(11) .
C54 C55 1.387(10) .
C54 H54 0.9500 .
C55 C56 1.508(10) .
C56 C61 1.389(11) .
C56 C57 1.394(10) .
C57 C58 1.367(13) .
C57 H57 0.9500 .
C58 C59 1.367(14) .
C58 H58 0.9500 .
C59 C60 1.395(13) .
C59 H59 0.9500 .
C60 C61 1.387(11) .
C60 H60 0.9500 .
C61 H61 0.9500 .
C62 C63 1.384(10) .
C62 C67 1.386(10) .
C62 H62 0.9500 .
C63 C64 1.373(12) .
C63 H63 0.9500 .
C64 C65 1.382(13) .
C64 H64 0.9500 .
C65 C66 1.378(11) .
C65 H65 0.9500 .
C66 C67 1.410(10) .
C66 H66 0.9500 .
C67 C68 1.509(9) .
C68 C69 1.397(9) .
C69 C70 1.386(10) .
C69 H69 0.9500 .
C70 C71 1.505(9) .
C71 C76 1.391(11) .
C71 C72 1.393(12) .
C72 C73 1.389(12) .
C72 H72 0.9500 .
C73 C74 1.386(15) .
C73 H73 0.9500 .
C74 C75 1.371(15) .
C74 H74 0.9500 .
C75 C76 1.378(11) .
C75 H75 0.9500 .
C76 H76 0.9500 .
Cl1 C77 1.744(17) .
Cl2 C77 1.662(16) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
O15 C78 1.392(10) .
O15 H15 0.8400 .
C78 C79 1.530(10) .
C78 H78A 0.9900 .
C78 H78B 0.9900 .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C77 H77B O11 0.99 2.62 3.519(15) 150.4 .
C77 H77B O11 0.99 2.62 3.519(15) 150.4 .
C77 H77B O11 0.99 2.62 3.519(15) 150.4 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Dy1 O3 C1 C2 13.4(15) . . . .
O3 C1 C2 C7 9.0(14) . . . .
O3 C1 C2 C3 -169.8(8) . . . .
C1 C2 C3 C4 178.0(9) . . . .
C7 C2 C3 C4 -0.9(13) . . . .
C2 C3 C4 C5 0.2(16) . . . .
C3 C4 C5 C6 1.1(17) . . . .
C4 C5 C6 C7 -1.7(15) . . . .
C4 C5 C6 O1 175.5(9) . . . .
C8 O1 C6 C5 21.7(12) . . . .
Dy2 O1 C6 C5 -155.1(7) . . . .
C8 O1 C6 C7 -160.7(8) . . . .
Dy2 O1 C6 C7 22.5(7) . . . .
Dy1 O2 C7 C6 145.3(5) . . . .
Dy2 O2 C7 C6 -29.4(8) . . . .
Dy1 O2 C7 C2 -36.6(9) . . . .
Dy2 O2 C7 C2 148.7(5) . . . .
C5 C6 C7 O2 179.2(8) . . . .
O1 C6 C7 O2 1.5(9) . . . .
C5 C6 C7 C2 0.9(11) . . . .
O1 C6 C7 C2 -176.7(6) . . . .
C1 C2 C7 O2 3.5(12) . . . .
C3 C2 C7 O2 -177.9(7) . . . .
C1 C2 C7 C6 -178.4(8) . . . .
C3 C2 C7 C6 0.3(10) . . . .
Dy2 O6 C9 C10 9.4(10) . . . .
O6 C9 C10 C11 -174.5(7) . . . .
O6 C9 C10 C15 7.1(11) . . . .
C15 C10 C11 C12 -0.7(10) . . . .
C9 C10 C11 C12 -179.2(6) . . . .
C10 C11 C12 C13 -0.6(11) . . . .
C11 C12 C13 C14 0.4(11) . . . .
C16 O4 C14 C13 14.7(9) . . . .
Dy1 O4 C14 C13 -152.0(6) . . . .
C16 O4 C14 C15 -167.0(5) . . . .
Dy1 O4 C14 C15 26.4(6) . . . .
C12 C13 C14 O4 179.4(6) . . . .
C12 C13 C14 C15 1.1(10) . . . .
Dy2 O5 C15 C10 -28.9(8) . . . .
Dy1 O5 C15 C10 151.7(5) . . . .
Dy2 O5 C15 C14 153.4(4) . . . .
Dy1 O5 C15 C14 -26.0(7) . . . .
C11 C10 C15 O5 -175.5(6) . . . .
C9 C10 C15 O5 2.9(10) . . . .
C11 C10 C15 C14 2.2(9) . . . .
C9 C10 C15 C14 -179.4(6) . . . .
O4 C14 C15 O5 -3.0(8) . . . .
C13 C14 C15 O5 175.4(6) . . . .
O4 C14 C15 C10 179.1(5) . . . .
C13 C14 C15 C10 -2.4(9) . . . .
C22 C17 C18 C19 -0.3(12) . . . .
C17 C18 C19 C20 0.1(12) . . . .
C18 C19 C20 C21 0.2(13) . . . .
C19 C20 C21 C22 -0.2(13) . . . .
C18 C17 C22 C21 0.2(10) . . . .
C18 C17 C22 C23 -179.1(6) . . . .
C20 C21 C22 C17 0.0(11) . . . .
C20 C21 C22 C23 179.3(7) . . . .
Dy1 O7 C23 C24 -29.9(9) . . . .
Dy1 O7 C23 C22 152.5(4) . . . .
C17 C22 C23 O7 18.4(9) . . . .
C21 C22 C23 O7 -160.8(6) . . . .
C17 C22 C23 C24 -159.2(6) . . . .
C21 C22 C23 C24 21.5(10) . . . .
O7 C23 C24 C25 -0.1(11) . . . .
C22 C23 C24 C25 177.4(6) . . . .
Dy1 O8 C25 C24 2.4(10) . . . .
Dy1 O8 C25 C26 179.6(5) . . . .
C23 C24 C25 O8 13.1(11) . . . .
C23 C24 C25 C26 -164.0(7) . . . .
O8 C25 C26 C31 -17.8(11) . . . .
C24 C25 C26 C31 159.5(9) . . . .
O8 C25 C26 C27 160.4(8) . . . .
C24 C25 C26 C27 -22.3(12) . . . .
C31 C26 C27 C28 -3.2(16) . . . .
C25 C26 C27 C28 178.6(10) . . . .
C26 C27 C28 C29 2(2) . . . .
C27 C28 C29 C30 1(2) . . . .
C28 C29 C30 C31 -3(2) . . . .
C27 C26 C31 C30 1.4(17) . . . .
C25 C26 C31 C30 179.7(11) . . . .
C29 C30 C31 C26 2(2) . . . .
C37 C32 C33 C34 2.1(11) . . . .
C32 C33 C34 C35 -0.3(12) . . . .
C33 C34 C35 C36 -1.8(12) . . . .
C34 C35 C36 C37 2.0(10) . . . .
C33 C32 C37 C36 -1.8(10) . . . .
C33 C32 C37 C38 174.0(6) . . . .
C35 C36 C37 C32 -0.2(10) . . . .
C35 C36 C37 C38 -175.9(6) . . . .
Dy1 O9 C38 C39 5.3(10) . . . .
Dy1 O9 C38 C37 -170.1(4) . . . .
C32 C37 C38 O9 36.5(8) . . . .
C36 C37 C38 O9 -147.7(6) . . . .
C32 C37 C38 C39 -139.2(6) . . . .
C36 C37 C38 C39 36.6(9) . . . .
O9 C38 C39 C40 -1.1(11) . . . .
C37 C38 C39 C40 174.2(6) . . . .
Dy1 O10 C40 C39 -24.2(10) . . . .
Dy1 O10 C40 C41 152.0(5) . . . .
C38 C39 C40 O10 9.6(10) . . . .
C38 C39 C40 C41 -166.5(6) . . . .
O10 C40 C41 C42 171.0(6) . . . .
C39 C40 C41 C42 -12.6(10) . . . .
O10 C40 C41 C46 -12.1(9) . . . .
C39 C40 C41 C46 164.2(6) . . . .
C46 C41 C42 C43 1.1(11) . . . .
C40 C41 C42 C43 178.0(7) . . . .
C41 C42 C43 C44 -3.1(13) . . . .
C42 C43 C44 C45 3.7(14) . . . .
C43 C44 C45 C46 -2.6(13) . . . .
C44 C45 C46 C41 0.7(12) . . . .
C42 C41 C46 C45 0.0(11) . . . .
C40 C41 C46 C45 -177.1(7) . . . .
C52 C47 C48 C49 1(2) . . . .
C47 C48 C49 C50 1(2) . . . .
C48 C49 C50 C51 -3(2) . . . .
C49 C50 C51 C52 4(2) . . . .
C50 C51 C52 C47 -1.5(19) . . . .
C50 C51 C52 C53 -176.9(11) . . . .
C48 C47 C52 C51 -0.7(18) . . . .
C48 C47 C52 C53 174.9(11) . . . .
Dy2 O11 C53 C54 29.5(10) . . . .
Dy2 O11 C53 C52 -150.9(5) . . . .
C51 C52 C53 O11 168.2(10) . . . .
C47 C52 C53 O11 -7.1(12) . . . .
C51 C52 C53 C54 -12.2(14) . . . .
C47 C52 C53 C54 172.5(9) . . . .
O11 C53 C54 C55 -3.8(12) . . . .
C52 C53 C54 C55 176.6(7) . . . .
Dy2 O12 C55 C54 -12.9(10) . . . .
Dy2 O12 C55 C56 165.5(4) . . . .
C53 C54 C55 O12 -4.5(12) . . . .
C53 C54 C55 C56 177.2(7) . . . .
O12 C55 C56 C61 -15.5(9) . . . .
C54 C55 C56 C61 163.0(7) . . . .
O12 C55 C56 C57 164.9(6) . . . .
C54 C55 C56 C57 -16.7(10) . . . .
C61 C56 C57 C58 0.3(11) . . . .
C55 C56 C57 C58 179.9(7) . . . .
C56 C57 C58 C59 -2.0(13) . . . .
C57 C58 C59 C60 2.6(13) . . . .
C58 C59 C60 C61 -1.5(12) . . . .
C59 C60 C61 C56 -0.2(11) . . . .
C57 C56 C61 C60 0.8(10) . . . .
C55 C56 C61 C60 -178.9(6) . . . .
C67 C62 C63 C64 -0.2(12) . . . .
C62 C63 C64 C65 0.1(14) . . . .
C63 C64 C65 C66 -0.9(14) . . . .
C64 C65 C66 C67 1.6(13) . . . .
C63 C62 C67 C66 0.9(11) . . . .
C63 C62 C67 C68 -179.5(7) . . . .
C65 C66 C67 C62 -1.6(11) . . . .
C65 C66 C67 C68 178.8(7) . . . .
Dy2 O13 C68 C69 -14.2(10) . . . .
Dy2 O13 C68 C67 168.0(4) . . . .
C62 C67 C68 O13 -36.3(9) . . . .
C66 C67 C68 O13 143.3(7) . . . .
C62 C67 C68 C69 145.8(7) . . . .
C66 C67 C68 C69 -34.6(9) . . . .
O13 C68 C69 C70 -4.5(11) . . . .
C67 C68 C69 C70 173.2(6) . . . .
Dy2 O14 C70 C69 13.4(11) . . . .
Dy2 O14 C70 C71 -170.9(5) . . . .
C68 C69 C70 O14 5.7(11) . . . .
C68 C69 C70 C71 -169.9(6) . . . .
O14 C70 C71 C76 -175.4(7) . . . .
C69 C70 C71 C76 0.5(11) . . . .
O14 C70 C71 C72 5.7(10) . . . .
C69 C70 C71 C72 -178.4(7) . . . .
C76 C71 C72 C73 -0.5(12) . . . .
C70 C71 C72 C73 178.5(8) . . . .
C71 C72 C73 C74 0.5(14) . . . .
C72 C73 C74 C75 -1.4(14) . . . .
C73 C74 C75 C76 2.2(14) . . . .
C74 C75 C76 C71 -2.2(13) . . . .
C72 C71 C76 C75 1.3(12) . . . .
C70 C71 C76 C75 -177.6(7) . . . .
